Basic information
- CAS
56281-38-0- Standard SMILES
CC1=C(C)CC2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)C2C1- InChIKey
DZNZJSLRWHFNLM-UHFFFAOYSA-N- Molecular formula
- C16H15NO4
- Average molar mass
- 285.29 g/mol
- Monoisotopic mass
- 285.10010796
Names & identifiers
- Preferred name
- 5-Nitro-2,3-dimethyl-1,4,4a,9a-tetrahydroanthraquinone
- IUPAC
- 2,3-dimethyl-5-nitro-1,4,4a,9a-tetrahydroanthracene-9,10-dione
Names & synonyms
SCHEMBL98175685-nitro-2,3-dimethyl-1,4,4a,9a-tetrahydroanthraquinoneDZNZJSLRWHFNLM-UHFFFAOYSA-NDTXSID70117897256281-38-01,4,4a,9a-Tetrahydro-2,3-dimethyl-5-nitro-9,10-anthracenedione2,3-dimethyl-5-nitro-1,4,4a,9a-tetrahydroanthracene-9,10-dione
Database identifiers
- CAS
56281-38-0- PubChem CID
- 21292554
- DTXSID
DTXSID701178972
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 545
Related reactions
3 records
Compound notes
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